以Si为联合原子的分子系列双原子分子的里德伯能级结构

本文在独立电子近似的基础上,利用多重散射自洽场理沦方法,计算一些以Si为联合原子的双原子分子N₂,CO,BF,AlH,LiNa,“BeNe”,“MgHe”的里德伯能级结构。根据分子的电子组态极限,确定了各里德伯系列初始态的主量子数。阐明了这些双原子分子里德伯能级结构的变化规津。理论计算结果与已有的实验数据符合得较好,从而为超越独立电子近似的计算打下基础。 关键词：     

A low specific on-resistance SOI MOSFET with dual gates and a recessed drain

A low specific on-resistance(Ron,sp) integrable silicon-on-insulator(SOI) metal-oxide semiconductor field-effect transistor(MOSFET) is proposed and investigated by simulation.The MOSFET features a recessed drain as well as dual gates,which consist of a planar gate and a trench gate extended to the buried oxide layer(BOX)(DGRD MOSFET).First,the dual gates form dual conduction channels,and the extended trench gate also acts as a field plate to improve the electric field distribution.Second,the combination of the trench gate and the recessed drain widens the vertical conduction area and shortens the current path.Third,the P-type top layer not only enhances the drift doping concentration but also modulates the surface electric field distributions.All of these sharply reduce Ron,sp and maintain a high breakdown voltage(BV).The BV of 233 V and Ron,sp of 4.151 mΩ·cm2(VGS = 15 V) are obtained for the DGRD MOSFET with 15-μm half-cell pitch.Compared with the trench gate SOI MOSFET and the conventional MOSFET,Ron,sp of the DGRD MOSFET decreases by 36% and 33% with the same BV,respectively.The trench gate extended to the BOX synchronously acts as a dielectric isolation trench,simplifying the fabrication processes.     

PIN型和NIP型硅薄膜太阳电池中绒面陷光结构和陷光性能研究

对于硅薄膜太阳电池来说, 无论是PIN型还是NIP型太阳电池, 采用绒面陷光结构来提高入射光的有效利用率是提高太阳电池效率的重要方法之一.本文采用标度相干理论对PIN和NIP型电池的绒面结构的陷光性能进行了数值模拟. 结果表明: PIN电池中前电极和NIP电池中背电极衬底粗糙度分别为160和40 nm时可获得理想的陷光效果; 在不同粗糙度背电极衬底上制备a-SiGe:H电池发现, 使用40和61.5 nm 背电极可获得相当的短路电流密度, 理论分析和实验得到了一致的结果. 关键词： 陷光结构 光散射能力 标量相干理论 硅基薄膜太阳电池     

硅熔化特性的分子动力学模拟–-不同势函数的对比研究

分别采用Stillinger-Weber (SW)势、修正的成熟原子嵌入模型(MEAM)势、 Tersoff势和HOEP (highly optimized empirical potential)势来描述硅原子间相互作用, 运用分子动力学方法对比模拟研究了四种势函数的硅晶体的体熔化和表面熔化特性. 结果表明: 四种势函数均能反映出硅的热膨胀、高温熔化和熔化时吸热收缩等基本物理规律. 但综合对比发现, Tersoff势和MEAM势相对更适合描述硅的熔化和凝固过程, SW势次之, HOEP势则不适合描述硅的熔化和凝固过程. 关键词： 硅 势函数 熔化 分子动力学     

薄膜硅的变隙问题及隙态分布

用电子束蒸发的方法制备可变光学带隙薄膜硅材料, 给出了研究结果. 介绍了一种做透过率曲线切线确定薄膜光学带隙的简易方法, 给出了制备工艺和条件, 以及各种材料的隙态分布图. 实验发现, 材料的光学带隙宽度不但与量子尺度效应有关, 而且与缺陷形成的势垒高度和宽度以及有序短程(原子串)长度有关; 给出了常规硅材料的光学带隙与原子串长度的关系. 计算表明, 随着原子串长度的加大, 势阱中的电子液面升高, 载流子受缺陷势垒的散射减弱; 在原子串长度较低的情况下, 电子液面不总是随着原子串长度升高, 而是有较大的涨落, 形成锯齿状波动.计算还发现, 在势垒宽度与原子串长度之比不变的情况下, 电子液面还与势垒高度有关. 关键词： 薄膜硅 可变光学带隙 隙态分布 电子液面涨落     

多孔硅拉曼光谱随激发功率变化的研究

用阳极氧化法新制备了多孔硅样品,以457．5nm固体激光器为激发光源,在不同激发功率下,获得了拉曼谱图和一些谱峰参量随激光功率的变化关系。解释了520cm^-1和300cm^-1附近拉曼峰随功率变化的一系列可逆的实验现象：随激光功率升高出现的红移和非对称性展宽,主要是由于样品局域平均粒径变小而受量子限域效应的影响导致的;样品局域平均粒径在表面上的二维减小与随激光功率升高而导致的局域温升并不违背基本的热力学定律;高功率时520cm^-1附近双峰的出现是由于多孔硅样品局域平均粒径达到一定阈值而导致的纵模和横模双声子模的分裂。     

Resonant energy transfer from nanocrystal Si to β-FeSi2 in hybrid Si/β-FeSi2 film

The photoluminescence （PL） characteristics of hybrid β-FeSi2/Si and pure β-FeSi2 films fabricated by pulsed laser deposition at 20 K are investigated. The intensity of the 1.54-μm PL from the former is enhanced, but the enhancement vanishes when the excitation wavelength is larger than the widened band gap of Si nanocrystal. Time-resolved PL decay measurements reveal that the lifetime of the photo-excited carriers in the hybrid β-FeSi2/Si film is longer than that in the pure β-FeSi2 film, providing evidence that the PL enhancement results from the resonant charge transfer from nanocrystalline Si to β-FeSi2.     

Effect of vacancy charge state on positron annihilation in silicon

The charge-state-dependent lattice relaxation of mono-vacancy in silicon is studied using the first-principles pseu- dopotential plane-wave method. We observe that the structural relaxation for the first-neighbor atoms of the mono-vacancy is strongly dependent on its charge state. The difference in total electron density between with and without charge states in mono-vacancy and its relevant change due to the localized positron are also examined by means of first-principles simu- lation, demonstrating the strong interplay between positron and electron. Our calculations reveal that the positron lifetime decreases with absolute charge value increasing.